SkParserASCII Class Reference

Class to handle parsing from ASCII file. More...

Inheritance diagram for SkParserASCII:

Collaboration diagram for SkParserASCII:

Public Types
enum	data_layout {   KX, KY, KZ, SK,   SKERR }
Public Types inherited from SkParserBase
using	Grid_t = LinearGrid< RealType >
Public Types inherited from QMCTraits
enum	{ DIM = OHMMS_DIM, DIM_VGL = OHMMS_DIM + 2 }
using	QTBase = QMCTypes< OHMMS_PRECISION, DIM >
using	QTFull = QMCTypes< OHMMS_PRECISION_FULL, DIM >
using	RealType = QTBase::RealType
using	ComplexType = QTBase::ComplexType
using	ValueType = QTBase::ValueType
using	PosType = QTBase::PosType
using	GradType = QTBase::GradType
using	TensorType = QTBase::TensorType
using	IndexType = OHMMS_INDEXTYPE
	define other types More...
using	FullPrecRealType = QTFull::RealType
using	FullPrecValueType = QTFull::ValueType
using	PropertySetType = RecordNamedProperty< FullPrecRealType >
	define PropertyList_t More...
using	PtclGrpIndexes = std::vector< std::pair< int, int > >

Public Member Functions
void	parse (const std::string &fname) override
Public Member Functions inherited from SkParserBase
	SkParserBase ()
virtual	~SkParserBase ()
void	get_grid (Grid_t &xgrid, Grid_t &ygrid, Grid_t &zgrid)
void	get_sk (std::vector< RealType > &sk, std::vector< RealType > &skerr)
std::vector< PosType >	get_grid_raw ()
std::vector< RealType >	get_sk_raw ()
std::vector< RealType >	get_skerr_raw ()
void	compute_sk ()
void	set_grid (const std::vector< PosType > &gridpoints)
void	set_grid (const std::vector< TinyVector< int, OHMMS_DIM >> &gridpoints)
void	compute_grid ()
bool	is_normalized ()
bool	has_grid ()
void	setName (std::string in_name)

Private Member Functions
std::vector< std::vector< RealType > >	read_sk_file (const std::string &fname)
std::vector< PosType >	get_grid_from_data (std::vector< std::vector< RealType >> &data)
std::vector< RealType >	get_sk_from_data (std::vector< std::vector< RealType >> &data)
std::vector< RealType >	get_skerr_from_data (std::vector< std::vector< RealType >> &data)

Additional Inherited Members
Protected Attributes inherited from SkParserBase
bool	isParseSuccess
bool	isGridComputed
bool	isSkComputed
bool	hasGrid
bool	isNormalized
Grid_t	xgrid
Grid_t	ygrid
Grid_t	zgrid
std::vector< RealType >	skraw
std::vector< RealType >	skerr_raw
std::vector< PosType >	kgridraw
std::vector< RealType >	sk
std::vector< RealType >	skerr
std::vector< PosType >	kgrid
std::string	skname

Detailed Description

Class to handle parsing from ASCII file.

This assumes you have process your own S(k) file and has file format of

k_x k_y k_z S(k) err

k0x k0y k0z S(k0) err k1x k1y k1z S(k1) err k2x k2y k2z S(k2) err ...

Definition at line 20 of file SkParserASCII.h.

Member Enumeration Documentation

data_layout

enum data_layout

Enumerator
KX
KY
KZ
SK
SKERR

Definition at line 23 of file SkParserASCII.h.

  {
    KX,
    KY,
    KZ,
    SK,
    SKERR
  };

Member Function Documentation

get_grid_from_data()

std::vector< PosType > get_grid_from_data ( std::vector< std::vector< RealType >> &  data )

private

Definition at line 37 of file SkParserASCII.cpp.

References SkParserBase::kgrid, SkParserASCII::KX, SkParserASCII::KY, and SkParserASCII::KZ.

Referenced by SkParserASCII::parse().

{
  std::vector<PosType> kgrid(filedata.size());

  for (int i = 0; i < filedata.size(); i++)
  {
    kgrid[i][0] = filedata[i][KX];
    kgrid[i][1] = filedata[i][KY];
    kgrid[i][2] = filedata[i][KZ];
  }

  return kgrid;
}

get_sk_from_data()

std::vector< RealType > get_sk_from_data ( std::vector< std::vector< RealType >> &  data )

private

Definition at line 51 of file SkParserASCII.cpp.

References SkParserASCII::SK, and SkParserBase::sk.

Referenced by SkParserASCII::parse().

{
  std::vector<RealType> sk(filedata.size());
  for (int i = 0; i < filedata.size(); i++)
    sk[i] = filedata[i][SK];

  return sk;
}

get_skerr_from_data()

std::vector< RealType > get_skerr_from_data ( std::vector< std::vector< RealType >> &  data )

private

Definition at line 60 of file SkParserASCII.cpp.

References SkParserASCII::SKERR, and SkParserBase::skerr.

Referenced by SkParserASCII::parse().

{
  std::vector<RealType> skerr(filedata.size());
  for (int i = 0; i < filedata.size(); i++)
    skerr[i] = filedata[i][SKERR];

  return skerr;
}

parse()

void parse ( const std::string &  fname )

overridevirtual

Implements SkParserBase.

Definition at line 69 of file SkParserASCII.cpp.

References SkParserASCII::get_grid_from_data(), SkParserASCII::get_sk_from_data(), SkParserASCII::get_skerr_from_data(), SkParserBase::hasGrid, SkParserBase::isNormalized, SkParserBase::isParseSuccess, SkParserBase::kgridraw, SkParserASCII::read_sk_file(), SkParserBase::skerr_raw, and SkParserBase::skraw.

{
  std::vector<std::vector<RealType>> rawdata(0);
  rawdata   = read_sk_file(fname);
  kgridraw  = get_grid_from_data(rawdata);
  skraw     = get_sk_from_data(rawdata);
  skerr_raw = get_skerr_from_data(rawdata);


  //  cout<<"Ok.  In SkParserASCII\n";
  //  cout<<" print kgridraw, skraw, skerr\n";
  //  for(int i=0; i<kgridraw.size();i++) cout<<kgridraw[i][0]<<" "<<kgridraw[i][1]<<" "<<kgridraw[i][2]<<" "<<skraw[i]<<" "<<skerr_raw[i]<<endl;
  hasGrid        = false;
  isNormalized   = true;
  isParseSuccess = true;
}

read_sk_file()

std::vector< std::vector< RealType > > read_sk_file ( const std::string &  fname )

private

Definition at line 13 of file SkParserASCII.cpp.

References SkParserASCII::KX, SkParserASCII::KY, SkParserASCII::KZ, SkParserASCII::SK, and SkParserASCII::SKERR.

Referenced by SkParserASCII::parse().

{
  std::vector<std::vector<RealType>> skdata(0);

  std::vector<RealType> tmp(5);

  std::ifstream f;
  f.open(fname.c_str(), std::ifstream::in);

  std::string tmpstring;      //just a sink for getline.
  std::getline(f, tmpstring); //skip the first line.

  while (!f.eof())
  {
    RealType x = 0, y = 0;
    f >> tmp[KX] >> tmp[KY] >> tmp[KZ] >> tmp[SK] >> tmp[SKERR];
    //corresponds to kx, ky, kz, S(k), err
    if (!f.eof())
      skdata.push_back(tmp);
  }

  return skdata;
}

---

The documentation for this class was generated from the following files:

• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/QMCTools/QMCFiniteSize/SkParserASCII.h
• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/QMCTools/QMCFiniteSize/SkParserASCII.cpp